2-(naphthalen-1-ylamino)benzoyl chloride

C17H12ClNO — CID 54450707

IUPAC2-(naphthalen-1-ylamino)benzoyl chloride
SMILESO=C(Cl)c1ccccc1Nc1cccc2ccccc12
InChIInChI=1S/C17H12ClNO/c18-17(20)14-9-3-4-10-16(14)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-11,19H
InChIKeyWUTQUGOOASLLGR-UHFFFAOYSA-N
MW281.74 g/mol
LogP4.96
Rot. Bonds3

About 2-(naphthalen-1-ylamino)benzoyl chloride

2-(naphthalen-1-ylamino)benzoyl chloride (PubChem CID 54450707) has the molecular formula C17H12ClNO and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)benzoyl chloride.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)benzoyl chloride
PubChem CID54450707
Molecular FormulaC17H12ClNO
Molecular Weight281.74 g/mol
Exact Mass281.06
IUPAC Name2-(naphthalen-1-ylamino)benzoyl chloride
SMILESO=C(Cl)c1ccccc1Nc1cccc2ccccc12
InChIInChI=1S/C17H12ClNO/c18-17(20)14-9-3-4-10-16(14)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-11,19H
InChIKeyWUTQUGOOASLLGR-UHFFFAOYSA-N
XLogP4.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-(naphthalen-1-ylamino)benzamide
CID 86200085
N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide
CID 17385247
3-amino-2-(naphthalen-1-ylamino)benzamide
CID 115933816
1-chloro-N-naphthalen-1-ylnaphthalen-2-amine
CID 155635365
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
phenol;N-phenylnaphthalen-1-amine
CID 159146578
2-(naphthalen-1-ylcarbamoyl)benzoic acid
CID 67617466
naphthalene-1,4,5-tricarbonyl chloride
CID 139807498
naphthalen-1-ylurea;hydrochloride
CID 141142203
[5-amino-2-(naphthalen-1-ylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100644540

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)benzoyl chloride?
The IUPAC name of 2-(naphthalen-1-ylamino)benzoyl chloride (CID 54450707) is 2-(naphthalen-1-ylamino)benzoyl chloride.
What is the SMILES notation for 2-(naphthalen-1-ylamino)benzoyl chloride?
The canonical SMILES for 2-(naphthalen-1-ylamino)benzoyl chloride is O=C(Cl)c1ccccc1Nc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylamino)benzoyl chloride?
The InChIKey is WUTQUGOOASLLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO/c18-17(20)14-9-3-4-10-16(14)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-11,19H.
What are the key properties of 2-(naphthalen-1-ylamino)benzoyl chloride?
2-(naphthalen-1-ylamino)benzoyl chloride has a molecular weight of 281.74 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)benzoyl chloride is sourced from PubChem (CID 54450707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).